N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide

C14H17F3N2O4 — CID 70261119

IUPACN-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)NC(=O)NC(C)(C)C)cc1O
InChIInChI=1S/C14H17F3N2O4/c1-13(2,3)19-12(22)18-11(21)7-5-9(20)10(23-4)6-8(7)14(15,16)17/h5-6,20H,1-4H3,(H2,18,19,21,22)
InChIKeyNJELUANVXPFYSD-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.66
Rot. Bonds2

About N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide

N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide (PubChem CID 70261119) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
PubChem CID70261119
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC NameN-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)NC(=O)NC(C)(C)C)cc1O
InChIInChI=1S/C14H17F3N2O4/c1-13(2,3)19-12(22)18-11(21)7-5-9(20)10(23-4)6-8(7)14(15,16)17/h5-6,20H,1-4H3,(H2,18,19,21,22)
InChIKeyNJELUANVXPFYSD-UHFFFAOYSA-N
XLogP2.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70258400
N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70260452
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
methyl 4-fluoro-5-hydroxy-2-(trifluoromethyl)benzoate
CID 131318354
4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 143825452
2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
CID 84703270
methyl 4-amino-5-methoxy-2-(trifluoromethyl)benzoate
CID 67254453
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid
CID 105426079
N-tert-butyl-4-methoxy-2,5-dimethylbenzamide
CID 110761615
N-[di(propan-2-yl)carbamoyl]-4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 70261926

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide (CID 70261119) is N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)c(C(=O)NC(=O)NC(C)(C)C)cc1O.
What is the InChIKey of N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The InChIKey is NJELUANVXPFYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-13(2,3)19-12(22)18-11(21)7-5-9(20)10(23-4)6-8(7)14(15,16)17/h5-6,20H,1-4H3,(H2,18,19,21,22).
What are the key properties of N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide has a molecular weight of 334.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 70261119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).